U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na2FeO4 by Materials Project
Abstract
Na2FeO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to six O atoms to form NaO6 octahedra that share corners with six equivalent FeO4 tetrahedra and edges with two equivalent NaO6 octahedra. There are two shorter (2.38 Å) and four longer (2.44 Å) Na–O bond lengths. In the second Na site, Na is bonded in a 4-coordinate geometry to four O atoms. There are two shorter (2.36 Å) and two longer (2.49 Å) Na–O bond lengths. Fe is bonded to four O atoms to form FeO4 tetrahedra that share corners with six equivalent NaO6 octahedra. The corner-sharing octahedra tilt angles range from 43–51°. There is two shorter (1.65 Å) and two longer (1.67 Å) Fe–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two Na and one Fe atom. In the second O site, O is bonded in a 4-coordinate geometry to three Na and one Fe atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-19044
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Na2FeO4; Fe-Na-O
- OSTI Identifier:
- 1193827
- DOI:
- https://doi.org/10.17188/1193827
Citation Formats
The Materials Project. Materials Data on Na2FeO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1193827.
The Materials Project. Materials Data on Na2FeO4 by Materials Project. United States. doi:https://doi.org/10.17188/1193827
The Materials Project. 2020.
"Materials Data on Na2FeO4 by Materials Project". United States. doi:https://doi.org/10.17188/1193827. https://www.osti.gov/servlets/purl/1193827. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1193827,
title = {Materials Data on Na2FeO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2FeO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to six O atoms to form NaO6 octahedra that share corners with six equivalent FeO4 tetrahedra and edges with two equivalent NaO6 octahedra. There are two shorter (2.38 Å) and four longer (2.44 Å) Na–O bond lengths. In the second Na site, Na is bonded in a 4-coordinate geometry to four O atoms. There are two shorter (2.36 Å) and two longer (2.49 Å) Na–O bond lengths. Fe is bonded to four O atoms to form FeO4 tetrahedra that share corners with six equivalent NaO6 octahedra. The corner-sharing octahedra tilt angles range from 43–51°. There is two shorter (1.65 Å) and two longer (1.67 Å) Fe–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two Na and one Fe atom. In the second O site, O is bonded in a 4-coordinate geometry to three Na and one Fe atom.},
doi = {10.17188/1193827},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}